Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1OEB-8.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala
A
 A
A
A
A
 A
A
A

Grey: Restrictive positions; only 1 or 2 residues predicted after FoldX analysis

Yellow: Tolerant positions; more than 10 residues predicted after FoldX analysis

 

WT ligand    

(Help)

Intraclash 1.688 ΔGbinding -0.308
TOTAL
 1.380
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 1.229
Van der Waals -3.819 Backbone clash 0.000
Electrostatics 0.318 Helix dipole 0.000
Solvation Polar 4.079 Water bridges 0.000
Solvation Hyd -5.146 Disulfide 0.000
VdW clashes 0.136 Electrost. Kon 0.395
Entropy sc 0.196 Part.cov.bonds 0.000
Entropy mc

2.303

 ΔGstability

48.644
       

Predicted ligand sequences for model [HSE1_1OEB-8.PDB]

(from FoldX scoring matrices).
If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence).
 
  HSE1_1OEB-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 DWPPRQHR 0.0
2 FWPPRQHR 0.03
3 HWPPRQHR 0.04
4 DWPPRFHR 0.09
5 DEPPRQHR 0.1
6 DWPPRQPR 0.1
7 FWPPRFHR 0.12
8 HWPPRFHR 0.12
9 HWPPRQPR 0.13
10 FWPPRQPR 0.13
11 HEPPRQHR 0.14
12 FEPPRQHR 0.14
13 DWPPRQRR 0.17
14 DWPPRFPR 0.18
15 DEPPRFHR 0.19
16 FWPPRQRR 0.2
17 DEPPRQPR 0.2
18 HWPPRQRR 0.21
19 FWPPRFPR 0.21
20 DWPPRPHR 0.21
21 HWPPRFPR 0.22
22 FEPPRFHR 0.22
23 DPPPRQHR 0.22
24 HEPPRFHR 0.23
25 DWPWRQHR 0.23
26 FEPPRQPR 0.23
27 DWPFRQHR 0.23
28 FWPPRPHR 0.24
29 HEPPRQPR 0.24
30 HWPPRPHR 0.25
31 FPPPRQHR 0.25
32 FWPWRQHR 0.26
33 HWPFRQHR 0.26
34 DWPPRFRR 0.26
35 HPPPRQHR 0.26
36 FWPFRQHR 0.26
37 HWPWRQHR 0.27
38 DEPPRQRR 0.28
39 FWPPRFRR 0.29
40 DEPPRFPR 0.29
41 DPPPRFHR 0.3
42 HWPPRFRR 0.3
43 FEPPRQRR 0.31
44 DWPFRFHR 0.31
45 DWPPRPPR 0.31
46 DPPPRQPR 0.31
47 DWPWRFHR 0.32
48 FEPPRFPR 0.32
49 DWPFRQPR 0.32
50 DEPPRPHR 0.32
51 HEPPRQRR 0.32
52 HEPPRFPR 0.32
53 DWPWRQPR 0.33
54 DEPFRQHR 0.33
55 FPPPRFHR 0.33
56 HPPPRFHR 0.34
57 FWPPRPPR 0.34
58 FWPFRFHR 0.34
59 DEPWRQHR 0.34
60 FPPPRQPR 0.34
61 HPPPRQPR 0.35
62 FWPWRFHR 0.35
63 HWPPRPPR 0.35
64 FWPFRQPR 0.35
65 HWPFRFHR 0.35
66 FEPPRPHR 0.35
67 HWPWRFHR 0.35
68 DEPPRFRR 0.36
69 HWPFRQPR 0.36
70 FWPWRQPR 0.36
71 HEPPRPHR 0.36
72 FEPFRQHR 0.36
73 HWPWRQPR 0.36
74 HEPFRQHR 0.37
75 FEPWRQHR 0.37
76 HEPWRQHR 0.37
77 DWPPRPRR 0.39
78 DPPPRQRR 0.39
79 DWPFRQRR 0.4
80 DPPPRFPR 0.4
81 HEPPRFRR 0.4
82 FEPPRFRR 0.4
83 DWPWRFPR 0.41
84 DWPFRFPR 0.41
85 DWPWRQRR 0.41
86 DEPWRFHR 0.42
87 FPPPRQRR 0.42
88 FWPPRPRR 0.42
89 DEPFRFHR 0.42
90 DEPPRPPR 0.42
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DPPPRQHR

4.22

-7.62

-3.4
2 HWPPRPHR

5.33

-7.4

-2.07
3 HWPPRFHR

5.28

-7.14

-1.86
4 DWPPRFHR

5.19

-6.88

-1.69
5 DWPPRFPR

5.33

-6.93

-1.6
6 HEPPRFHR

5.32

-6.91

-1.59
7 FWPPRFPR

5.34

-6.82

-1.48
8 FEPPRFHR

5.45

-6.57

-1.12
9 HEPPRQPR

5.51

-6.42

-0.91
10 DEPPRFHR

5.5

-6.4

-0.9
11 DWPPRPHR

5.36

-6.23

-0.87
12 DWPWRQHR

5.78

-6.56

-0.78
13 HWPPRQPR

5.52

-6.29

-0.77
14 HWPPRFPR

5.25

-6.02

-0.77
15 FEPPRQHR

4.65

-5.16

-0.51
16 FWPPRPHR

5.6

-6.07

-0.47
17 HWPPRQRR

5.78

-6.16

-0.38
18 FEPPRQPR

4.67

-5.02

-0.35
19 DWPPRQPR

5.38

-5.69

-0.31
20 HWPPRQHR

5.69

-5.77

-0.08
21 FWPPRFHR

5.54

-5.48

0.06
22 DEPPRQPR

5.29

-5.08

0.21
23 DEPPRQHR

4.8

-4.54

0.26
24 HEPPRQHR

5.38

-5.08

0.3
25 FWPPRQHR

5.43

-5.12

0.31
26 FWPPRQRR

5.31

-5.0

0.31
27 DWPPRQHR

5.52

-5.01

0.51
28 FWPPRQPR

5.5

-4.92

0.58
29 DWPPRQRR

5.59

-4.92

0.67
30 DWPFRQHR

5.8

-4.83

0.97

 NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER